Geometry & MOs

Info

ID:	88841
PubChem CID:	49957234
Reduced:	Cl2N2O2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	25.68
Dipole, Da:	7.3
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NC(C3C2C=CC3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations